CID 11820922

Schembl5884547

Structural Information

Molecular Formula

C₂₁H₂₆N₄O₃

SMILES

CCO/N=C/C1=CC=C(C=C1)OCCC2CCN(CC2)C3=NN=C(C=C3)C=O

InChI

InChI=1S/C21H26N4O3/c1-2-28-22-15-18-3-6-20(7-4-18)27-14-11-17-9-12-25(13-10-17)21-8-5-19(16-26)23-24-21/h3-8,15-17H,2,9-14H2,1H3/b22-15+

InChIKey

VXYRNGDPMFEWPC-PXLXIMEGSA-N

Compound name

6-[4-[2-[4-[(E)-ethoxyiminomethyl]phenoxy]ethyl]piperidin-1-yl]pyridazine-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 382.2005 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	383.207776	193.7
[M+Na]+	405.189718	197.8
[M-H]-	381.193224	199.1
[M+NH4]+	400.234323	200.7
[M+K]+	421.163658	192.9
[M+H-H2O]+	365.197760	180.4
[M+HCOO]-	427.198701	211.9
[M+CH3COO]-	441.214351	222.8
[M+Na-2H]-	403.175166	196.4
[M]+	382.19995142	194.4
[M]-	382.20104858	194.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe